I wanted to calculate the longitudinal (z-axis) static polarizability and hyperpolarizabilities beta and gamma of polybutatriene oligomers by using Gaussian09. I have used [#P CCSD=(T,maxcyc=200)/gen gfinput polar scf=(conver=4) pop=reg (basis sets: for C, aug-cc-pvdz and for H, cc-pvdz)] in the command line, as CCSD(T) method is for without analytic derivatives. It gives Quadrupole, octapole and hexadecapole moments in Debye-ang , Debye-ang**2 and Debye-ang**3, respectively. How do I convert them to atomic unit?
Péter Szabó
The name one of the great oracles is Wikipedia
https://en.wikipedia.org/wiki/Atomic_units
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